3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H24N4O4 — CID 167723126

IUPAC3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CNCC(O)C4CNC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H24N4O4/c24-16(13-7-21-8-13)9-20-6-11-1-2-14-12(5-11)10-23(19(14)27)15-3-4-17(25)22-18(15)26/h1-2,5,13,15-16,20-21,24H,3-4,6-10H2,(H,22,25,26)
InChIKeyBUPRUYRMCRDUDM-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.88
Rot. Bonds6

About 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167723126) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167723126
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CNCC(O)C4CNC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H24N4O4/c24-16(13-7-21-8-13)9-20-6-11-1-2-14-12(5-11)10-23(19(14)27)15-3-4-17(25)22-18(15)26/h1-2,5,13,15-16,20-21,24H,3-4,6-10H2,(H,22,25,26)
InChIKeyBUPRUYRMCRDUDM-UHFFFAOYSA-N
XLogP-0.88
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[[[2-methyl-3-(methylamino)propyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716765
3-[6-[[(2-amino-2-cyclobutylethyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741361
3-[6-[[[(3R,4R)-4-hydroxypyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721659
3-[6-[[[3-(methylaminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736958
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683
3-[3-oxo-6-[[(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715892
3-[6-[[2-(ethylamino)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736726
3-[6-[[[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719490
3-[6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730252
3-[6-[[(2,2-dimethylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724769
3-[6-[[[(3R,4S)-4-fluoropyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718776

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167723126) is 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CNCC(O)C4CNC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is BUPRUYRMCRDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-16(13-7-21-8-13)9-20-6-11-1-2-14-12(5-11)10-23(19(14)27)15-3-4-17(25)22-18(15)26/h1-2,5,13,15-16,20-21,24H,3-4,6-10H2,(H,22,25,26).
What are the key properties of 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 372.43 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[[2-(azetidin-3-yl)-2-hydroxyethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167723126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).